[(2s)-2-[(2r)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2h-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate (CED0199802)

Record Information

Version

1.0

Creation Date

2026-08-23 16:33:50 UTC

Update Date

2026-08-23 16:33:50 UTC

Accession Number

CHEM236036

Identification

Common Name

[(2s)-2-[(2r)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2h-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate

Class

Small Molecule

Description

[(2s)-2-[(2r)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2h-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate belongs to the pentacarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,130 g/mol, [(2s)-2-[(2r)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2h-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate is a heavy molecule. Its chemical formula is C70H128O10.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇₀H₁₂₈O₁₀

Average Molecular Mass

1129.800 g/mol

Monoisotopic Mass

1128.951 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1

InChI Key

OEWBEINAQKIQLZ-CMRBMDBWSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
10279.0	Log mg/kg	[5800:18000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Diacylglycerol lipase-alpha	Q9Y4D2	Humans	Predicted (SEA)	16.1148
Click to view 3D structure	UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Q5HMD9	Staphylococcus epidermidis (strain ATCC 35984 / RP62A)	Predicted (SEA)	4.12601
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	241.488
Click to view 3D structure	M-phase inducer phosphatase 2	P30306	Mus musculus	Predicted (SEA)	3.50322
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	201.162
Click to view 3D structure	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	Q8HXG6	Bos taurus	Predicted (SEA)	1.01204
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	24.289
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	393.528
Click to view 3D structure	DNA-directed DNA/RNA polymerase mu	Q9NP87	Humans	Predicted (SEA)	16.1926
Click to view 3D structure	DNA nucleotidylexotransferase	P06526	Bos taurus	Predicted (SEA)	16.1926
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	32.9302
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	29.1935
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	19.7737
Click to view 3D structure	P-selectin	Q01102	Mus musculus	Predicted (SEA)	3.11397
Click to view 3D structure	E-selectin	Q00690	Mus musculus	Predicted (SEA)	3.11397
Click to view 3D structure	L-selectin	P18337	Mus musculus	Predicted (SEA)	3.11397
Click to view 3D structure	Nuclear receptor subfamily 4 group A member 2	Q07917	Rattus norvegicus	Predicted (SEA)	7.55137
Click to view 3D structure	DNA polymerase iota	Q6R3M4	Mus musculus	Predicted (SEA)	20.3965
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	828.471
Click to view 3D structure	Chymotrypsinogen B	P00767	Bos taurus	Predicted (SEA)	66.094
Click to view 3D structure	Cathepsin G	P08311	Humans	Predicted (SEA)	252.309
Click to view 3D structure	Chymotrypsin-like elastase family member 2A	P08419	Sus scrofa	Predicted (SEA)	112.336
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	586.127
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	14.3243
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	9.57545